SCHEMBL4122908

SCHEMBL4122908

C[C@@H](CCc1cccc2c1cnn2-c1ccc(F)cc1)NC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.65
CCR1 P32246 9/20 0.48
PGR P06401 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP17A1 P05093 1/20 0.45
CYP1A2 P05177 1/20 0.45
TP53 P04637 1/20 0.45
SMO Q99835 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4122911 1.00 NR3C1 (0.65) NR3C1CCR1PGRCYP3A4CYP2C9
SCHEMBL4118844 0.87 NR3C1 (0.50) NR3C1CCR1TP53
SCHEMBL4118839 0.87 NR3C1 (0.50) NR3C1CCR1TP53
SCHEMBL4123094 0.86 NR3C1 (0.56) NR3C1CCR1PGRCYP3A4CYP2C9
SCHEMBL27721784 0.86 NR3C1 (0.56) NR3C1CCR1PGRCYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL4126266 0.81 NR3C1 (0.53) NR3C1CCR1CYP17A1CYP1A2
SCHEMBL5137509 0.81 NR3C1 (0.58) NR3C1CCR1PGRCYP3A4CYP2C9
SCHEMBL4114024 0.81 NR3C1 (0.58) NR3C1CCR1PGRCYP3A4CYP2C9
SCHEMBL4108810 0.79 NR3C1 (1.00) NR3C1PGRCYP3A4CYP2C9
SCHEMBL4120136 0.79 NR3C1 (1.00) NR3C1PGRCYP3A4CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124607-A1 Novel Bicyclic Sulfonamides for Use as Glucocorticoid Receptor Modulators in the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2009-05-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090124607-A1 Novel Bicyclic Sulfonamides for Use as Glucocorticoid Receptor Modulators in the Treatment of Inflammatory Diseases NR3C1, NR3C2, MC2R NR3C1 1/4885CCR1 275/4885PGR 295/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.